oxan-2-yl(1,2-thiazol-3-yl)methanamine

C9H14N2OS — CID 130665539

IUPACoxan-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCCO1
InChIInChI=1S/C9H14N2OS/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2
InChIKeyMQGLXVFAOBCJSV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds2

About oxan-2-yl(1,2-thiazol-3-yl)methanamine

oxan-2-yl(1,2-thiazol-3-yl)methanamine (PubChem CID 130665539) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is oxan-2-yl(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Nameoxan-2-yl(1,2-thiazol-3-yl)methanamine
PubChem CID130665539
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameoxan-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCCO1
InChIInChI=1S/C9H14N2OS/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2
InChIKeyMQGLXVFAOBCJSV-UHFFFAOYSA-N
XLogP1.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
CID 126985716
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
2-(Oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
1-(1,4-dioxan-2-yl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
CID 130604848
[(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604876
(1-Methoxycyclopentyl)-(1,2-thiazol-3-yl)methanamine
CID 130631850
N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
1,4-Dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130653733
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
CID 130673408
(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
CID 130678046
3-(1,2-Thiazol-3-yl)oxan-3-amine
CID 130721975

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl(1,2-thiazol-3-yl)methanamine?
The IUPAC name of oxan-2-yl(1,2-thiazol-3-yl)methanamine (CID 130665539) is oxan-2-yl(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for oxan-2-yl(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for oxan-2-yl(1,2-thiazol-3-yl)methanamine is NC(c1ccsn1)C1CCCCO1.
What is the InChIKey of oxan-2-yl(1,2-thiazol-3-yl)methanamine?
The InChIKey is MQGLXVFAOBCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-9(7-4-6-13-11-7)8-3-1-2-5-12-8/h4,6,8-9H,1-3,5,10H2.
What are the key properties of oxan-2-yl(1,2-thiazol-3-yl)methanamine?
oxan-2-yl(1,2-thiazol-3-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130665539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).